CID 10943609

(+)-2-sterpurene

Structural Information

Molecular Formula
C15H24
SMILES
CC1=C2CC(C[C@H]2C[C@]3([C@@H]1CC3)C)(C)C
InChI
InChI=1S/C15H24/c1-10-12-9-14(2,3)7-11(12)8-15(4)6-5-13(10)15/h11,13H,5-9H2,1-4H3/t11-,13+,15-/m0/s1
InChIKey
HULFPDOHEQOINC-LNSITVRQSA-N
Compound name
(3S,6S,8S)-2,6,10,10-tetramethyltricyclo[6.3.0.03,6]undec-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 148.6
[M+Na]+ 227.17702 156.2
[M-H]- 203.18052 154.2
[M+NH4]+ 222.22162 169.8
[M+K]+ 243.15096 154.8
[M+H-H2O]+ 187.18506 140.9
[M+HCOO]- 249.18600 165.6
[M+CH3COO]- 263.20165 193.5
[M+Na-2H]- 225.16247 152.3
[M]+ 204.18725 155.9
[M]- 204.18835 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.